PDB entry 6pfb

View 6pfb on RCSB PDB site
Description: Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 3-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)phenyl)propanoic acid.
Class: transferase/transferase inhibitor
Keywords: Inhibitor, TS, TS-DHFR, TRANSFERASE, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2019-06-21, released 2019-10-02
The last revision prior to the SCOPe 2.08 freeze date was dated 2019-12-18, with a file datestamp of 2019-12-13.
Experiment type: XRAY
Resolution: 3.09 Å
R-factor: N/A
AEROSPACI score: 0.13 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Bifunctional dihydrofolate reductase-thymidylate synthase
    Species: Cryptosporidium hominis [TaxId:237895]
    Gene: CHUDEA4_4460
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6pfba1, d6pfba2
  • Chain 'B':
    Compound: Bifunctional dihydrofolate reductase-thymidylate synthase
    Species: Cryptosporidium hominis [TaxId:237895]
    Gene: CHUDEA4_4460
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6pfbb1, d6pfbb2
  • Chain 'C':
    Compound: Bifunctional dihydrofolate reductase-thymidylate synthase
    Species: Cryptosporidium hominis [TaxId:237895]
    Gene: CHUDEA4_4460
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6pfbc1, d6pfbc2
  • Chain 'D':
    Compound: Bifunctional dihydrofolate reductase-thymidylate synthase
    Species: Cryptosporidium hominis [TaxId:237895]
    Gene: CHUDEA4_4460
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6pfbd1, d6pfbd2
  • Chain 'E':
    Compound: Bifunctional dihydrofolate reductase-thymidylate synthase
    Species: Cryptosporidium hominis [TaxId:237895]
    Gene: CHUDEA4_4460
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6pfbe1, d6pfbe2
  • Heterogens: OG4, NDP, UFP, MTX

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >6pfbA (A:)
mseknvsivvaasvlssgigingqlpwsisedlkffskitnnkcdsnkknalimgrktwd
sigrrplknriivvissslpqdeadpnvvvfrnledsienlmnddsienifvcggesiyr
dalkdnfvdriyltrvalediefdtyfpeipetflpvymsqtfctknisydfmifekqek
ktlqncdpargqlksiddtvdllgeifgirkmgnrhkfpkeeiyntpsirfgrehyefqy
ldllsrvlengayrenrtgistysifgqmmrfdmresfpllttkkvairsifeeliwfik
gdtngnhliekkvyiwsgngskeyleriglghreendlgpiygfqwrhyngeyktmhddy
tgvgvdqlaklietlknnpkdrrhiltawnpsalsqmalppchvlsqyyvtndnclscnl
yqrscdlglgspfniasyailtmmlaqvcgyepgelaifigdahiyenhltqlkeqlsrt
prpfpqlkfkrkveniedfkwedieligyypyptikmdmav

    Sequence, based on observed residues (ATOM records): (download) 
    >6pfbA (A:)
eknvsivvaasvlssgigingqlpwsisedlkffskitnnkcdsnkknalimgrktwdsi
grrplknriivvissslpqdeadpnvvvfrnledsienlmnddsienifvcggesiyrda
lkdnfvdriyltrvalediefdtyfpeipetflpvymsqtfctknisydfmifekqlksi
ddtvdllgeifgirkmgnrhkfpkeeiyntpsirfgrehyefqyldllsrvlengayren
rtgistysifgqmmrfdmresfpllttkkvairsifeeliwfikgdtngnhliekkvyiw
sgngskeyleriglghreendlgpiygfqwrhyngeyktmhddytgvgvdqlaklietlk
nnpkdrrhiltawnpsalsqmalppchvlsqyyvtndnclscnlyqrscdlglgspfnia
syailtmmlaqvcgyepgelaifigdahiyenhltqlkeqlsrtprpfpqlkfkrkveni
edfkwedieligyypyptikmdmav

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >6pfbB (B:)
mseknvsivvaasvlssgigingqlpwsisedlkffskitnnkcdsnkknalimgrktwd
sigrrplknriivvissslpqdeadpnvvvfrnledsienlmnddsienifvcggesiyr
dalkdnfvdriyltrvalediefdtyfpeipetflpvymsqtfctknisydfmifekqek
ktlqncdpargqlksiddtvdllgeifgirkmgnrhkfpkeeiyntpsirfgrehyefqy
ldllsrvlengayrenrtgistysifgqmmrfdmresfpllttkkvairsifeeliwfik
gdtngnhliekkvyiwsgngskeyleriglghreendlgpiygfqwrhyngeyktmhddy
tgvgvdqlaklietlknnpkdrrhiltawnpsalsqmalppchvlsqyyvtndnclscnl
yqrscdlglgspfniasyailtmmlaqvcgyepgelaifigdahiyenhltqlkeqlsrt
prpfpqlkfkrkveniedfkwedieligyypyptikmdmav

    Sequence, based on observed residues (ATOM records): (download) 
    >6pfbB (B:)
eknvsivvaasvlssgigingqlpwsisedlkffskitnnkcdsnkknalimgrktwdsi
grrplknriivvissslpqdeadpnvvvfrnledsienlmnddsienifvcggesiyrda
lkdnfvdriyltrvalediefdtyfpeipetflpvymsqtfctknisydfmifekqlksi
ddtvdllgeifgirkmgnrhkfpkeeiyntpsirfgrehyefqyldllsrvlengayren
rtgistysifgqmmrfdmresfpllttkkvairsifeeliwfikgdtngnhliekkvyiw
sgngskeyleriglghreendlgpiygfqwrhyngeyktmhddytgvgvdqlaklietlk
nnpkdrrhiltawnpsalsqmalppchvlsqyyvtndnclscnlyqrscdlglgspfnia
syailtmmlaqvcgyepgelaifigdahiyenhltqlkeqlsrtprpfpqlkfkrkveni
edfkwedieligyypyptikmdmav

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >6pfbC (C:)
mseknvsivvaasvlssgigingqlpwsisedlkffskitnnkcdsnkknalimgrktwd
sigrrplknriivvissslpqdeadpnvvvfrnledsienlmnddsienifvcggesiyr
dalkdnfvdriyltrvalediefdtyfpeipetflpvymsqtfctknisydfmifekqek
ktlqncdpargqlksiddtvdllgeifgirkmgnrhkfpkeeiyntpsirfgrehyefqy
ldllsrvlengayrenrtgistysifgqmmrfdmresfpllttkkvairsifeeliwfik
gdtngnhliekkvyiwsgngskeyleriglghreendlgpiygfqwrhyngeyktmhddy
tgvgvdqlaklietlknnpkdrrhiltawnpsalsqmalppchvlsqyyvtndnclscnl
yqrscdlglgspfniasyailtmmlaqvcgyepgelaifigdahiyenhltqlkeqlsrt
prpfpqlkfkrkveniedfkwedieligyypyptikmdmav

    Sequence, based on observed residues (ATOM records): (download) 
    >6pfbC (C:)
eknvsivvaasvlssgigingqlpwsisedlkffskitnnkcdsnkknalimgrktwdsi
grrplknriivvissslpqdeadpnvvvfrnledsienlmnddsienifvcggesiyrda
lkdnfvdriyltrvalediefdtyfpeipetflpvymsqtfctknisydfmifekqelks
iddtvdllgeifgirkmgnrhkfpkeeiyntpsirfgrehyefqyldllsrvlengayre
nrtgistysifgqmmrfdmresfpllttkkvairsifeeliwfikgdtngnhliekkvyi
wsgngskeyleriglghreendlgpiygfqwrhyngeyktmhddytgvgvdqlaklietl
knnpkdrrhiltawnpsalsqmalppchvlsqyyvtndnclscnlyqrscdlglgspfni
asyailtmmlaqvcgyepgelaifigdahiyenhltqlkeqlsrtprpfpqlkfkrkven
iedfkwedieligyypyptikmdmav

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >6pfbD (D:)
mseknvsivvaasvlssgigingqlpwsisedlkffskitnnkcdsnkknalimgrktwd
sigrrplknriivvissslpqdeadpnvvvfrnledsienlmnddsienifvcggesiyr
dalkdnfvdriyltrvalediefdtyfpeipetflpvymsqtfctknisydfmifekqek
ktlqncdpargqlksiddtvdllgeifgirkmgnrhkfpkeeiyntpsirfgrehyefqy
ldllsrvlengayrenrtgistysifgqmmrfdmresfpllttkkvairsifeeliwfik
gdtngnhliekkvyiwsgngskeyleriglghreendlgpiygfqwrhyngeyktmhddy
tgvgvdqlaklietlknnpkdrrhiltawnpsalsqmalppchvlsqyyvtndnclscnl
yqrscdlglgspfniasyailtmmlaqvcgyepgelaifigdahiyenhltqlkeqlsrt
prpfpqlkfkrkveniedfkwedieligyypyptikmdmav

    Sequence, based on observed residues (ATOM records): (download) 
    >6pfbD (D:)
eknvsivvaasvlssgigingqlpwsisedlkffskitnnkcdsnkknalimgrktwdsi
grrplknriivvissslpqdeadpnvvvfrnledsienlmnddsienifvcggesiyrda
lkdnfvdriyltrvalediefdtyfpeipetflpvymsqtfctknisydfmifekqelks
iddtvdllgeifgirkmgnrhkfpkeeiyntpsirfgrehyefqyldllsrvlengayre
nrtgistysifgqmmrfdmresfpllttkkvairsifeeliwfikgdtngnhliekkvyi
wsgngskeyleriglghreendlgpiygfqwrhyngeyktmhddytgvgvdqlaklietl
knnpkdrrhiltawnpsalsqmalppchvlsqyyvtndnclscnlyqrscdlglgspfni
asyailtmmlaqvcgyepgelaifigdahiyenhltqlkeqlsrtprpfpqlkfkrkven
iedfkwedieligyypyptikmdmav

  • Chain 'E':
    Sequence, based on SEQRES records: (download) 
    >6pfbE (E:)
mseknvsivvaasvlssgigingqlpwsisedlkffskitnnkcdsnkknalimgrktwd
sigrrplknriivvissslpqdeadpnvvvfrnledsienlmnddsienifvcggesiyr
dalkdnfvdriyltrvalediefdtyfpeipetflpvymsqtfctknisydfmifekqek
ktlqncdpargqlksiddtvdllgeifgirkmgnrhkfpkeeiyntpsirfgrehyefqy
ldllsrvlengayrenrtgistysifgqmmrfdmresfpllttkkvairsifeeliwfik
gdtngnhliekkvyiwsgngskeyleriglghreendlgpiygfqwrhyngeyktmhddy
tgvgvdqlaklietlknnpkdrrhiltawnpsalsqmalppchvlsqyyvtndnclscnl
yqrscdlglgspfniasyailtmmlaqvcgyepgelaifigdahiyenhltqlkeqlsrt
prpfpqlkfkrkveniedfkwedieligyypyptikmdmav

    Sequence, based on observed residues (ATOM records): (download) 
    >6pfbE (E:)
eknvsivvaasvlssgigingqlpwsisedlkffskitnnkcdsnkknalimgrktwdsi
grrplknriivvissslpqdeadpnvvvfrnledsienlmnddsienifvcggesiyrda
lkdnfvdriyltrvalediefdtyfpeipetflpvymsqtfctknisydfmifekqlksi
ddtvdllgeifgirkmgnrhkfpkeeiyntpsirfgrehyefqyldllsrvlengayren
rtgistysifgqmmrfdmresfpllttkkvairsifeeliwfikgdtngnhliekkvyiw
sgngskeyleriglghreendlgpiygfqwrhyngeyktmhddytgvgvdqlaklietlk
nnpkdrrhiltawnpsalsqmalppchvlsqyyvtndnclscnlyqrscdlglgspfnia
syailtmmlaqvcgyepgelaifigdahiyenhltqlkeqlsrtprpfpqlkfkrkveni
edfkwedieligyypyptikmdmav